COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741756
Chemical Name: 4-[(E)-{[3-(dimethylamino)propyl]imino}methyl]-2-(4-nitrophenyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: CN(CCC/N=C/c1c([nH]n(c1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1)C

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Molecular Weight: 393.45
Empirical Formula: C21H23N5O3

Physical State: Dry powder
Available Amount: 222 mg

Lipinsky:
logP: 2.948
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 93
Number of rings: 3

     

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